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Chlorine in PDB 4jfr: Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Carbamoyl Phosphate

Enzymatic activity of Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Carbamoyl Phosphate

All present enzymatic activity of Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Carbamoyl Phosphate:
2.1.3.3;

Protein crystallography data

The structure of Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Carbamoyl Phosphate, PDB code: 4jfr was solved by I.G.Shabalin, J.Winsor, S.Grimshaw, T.Osinski, J.Bajor, M.D.Chordia, L.Shuvalova, W.F.Anderson, W.Minor, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.96 / 2.17
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 81.343, 80.916, 177.637, 90.00, 90.00, 90.00
R / Rfree (%) 17.1 / 20.5

Other elements in 4jfr:

The structure of Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Carbamoyl Phosphate also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Carbamoyl Phosphate (pdb code 4jfr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Carbamoyl Phosphate, PDB code: 4jfr:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4jfr

Go back to Chlorine Binding Sites List in 4jfr
Chlorine binding site 1 out of 3 in the Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Carbamoyl Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Carbamoyl Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:37.7
occ:1.00
 OG A:SER173 2.9 35.3 1.0
N A:LEU13 3.1 36.7 1.0
O A:HOH539 3.2 36.6 1.0
CB A:SER173 3.5 37.0 1.0
CG A:LEU13 3.6 38.6 1.0
CB A:PRO136 3.7 36.7 1.0
CD1 A:PHE134 3.7 37.8 1.0
CB A:LEU13 3.7 39.2 1.0
CB A:PHE134 3.8 33.6 1.0
CA A:PRO136 3.9 32.9 1.0
CG A:PHE134 3.9 36.4 1.0
CA A:LYS12 3.9 36.0 1.0
CA A:SER173 4.0 40.4 1.0
CD1 A:LEU13 4.0 41.3 1.0
C A:LYS12 4.0 37.2 1.0
CA A:LEU13 4.0 41.2 1.0
CD A:PRO136 4.1 33.5 1.0
N A:PRO136 4.1 34.1 1.0
CB A:LYS12 4.1 34.9 1.0
CG A:PRO136 4.3 34.2 1.0
N A:HIS135 4.4 36.5 1.0
CE1 A:PHE134 4.5 41.7 1.0
CA A:PHE134 4.7 34.5 1.0
C A:HIS135 4.7 35.1 1.0
CD2 A:PHE134 4.8 39.1 1.0
CD2 A:LEU13 4.9 38.9 1.0
O A:SER173 4.9 42.4 1.0
N A:SER173 5.0 42.1 1.0
C A:SER173 5.0 41.8 1.0
C A:PHE134 5.0 34.3 1.0
N A:LEU14 5.0 37.1 1.0

Chlorine binding site 2 out of 3 in 4jfr

Go back to Chlorine Binding Sites List in 4jfr
Chlorine binding site 2 out of 3 in the Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Carbamoyl Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Carbamoyl Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:44.5
occ:1.00
 OG B:SER173 2.9 44.6 1.0
O B:HOH545 3.1 49.8 1.0
N B:LEU13 3.2 44.6 1.0
CB B:SER173 3.6 41.9 1.0
CG B:LEU13 3.6 47.7 1.0
CD1 B:PHE134 3.6 46.8 1.0
CB B:PRO136 3.7 40.6 1.0
CB B:PHE134 3.7 46.5 1.0
CB B:LEU13 3.7 50.1 1.0
CG B:PHE134 3.8 46.5 1.0
CA B:PRO136 3.9 39.7 1.0
CA B:LYS12 3.9 47.2 1.0
N B:PRO136 4.0 40.1 1.0
CD1 B:LEU13 4.0 49.9 1.0
C B:LYS12 4.0 45.5 1.0
CA B:LEU13 4.0 49.8 1.0
CA B:SER173 4.1 43.2 1.0
CD B:PRO136 4.1 42.1 1.0
CB B:LYS12 4.1 46.8 1.0
CG B:PRO136 4.3 45.5 1.0
N B:HIS135 4.4 41.7 1.0
CE1 B:PHE134 4.5 48.6 1.0
C B:HIS135 4.6 39.4 1.0
CA B:PHE134 4.6 43.6 1.0
CD2 B:PHE134 4.8 48.5 1.0
CD2 B:LEU13 4.9 48.4 1.0
C B:PHE134 4.9 42.5 1.0

Chlorine binding site 3 out of 3 in 4jfr

Go back to Chlorine Binding Sites List in 4jfr
Chlorine binding site 3 out of 3 in the Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Carbamoyl Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Carbamoyl Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl401

b:49.5
occ:1.00
 O C:HOH534 2.9 52.5 1.0
OG C:SER173 3.0 49.9 1.0
N C:LEU13 3.1 52.0 1.0
CG C:LEU13 3.5 51.9 1.0
CB C:LEU13 3.5 55.4 1.0
CB C:PRO136 3.6 53.9 1.0
CB C:SER173 3.7 52.2 1.0
CD1 C:PHE134 3.7 56.8 1.0
CA C:PRO136 3.8 50.1 1.0
CD1 C:LEU13 3.9 51.5 1.0
CB C:PHE134 3.9 51.6 1.0
CA C:LYS12 3.9 53.2 1.0
CA C:LEU13 3.9 54.1 1.0
C C:LYS12 4.0 53.7 1.0
CG C:PHE134 4.0 51.2 1.0
N C:PRO136 4.1 48.7 1.0
CB C:LYS12 4.1 53.2 1.0
CD C:PRO136 4.1 48.5 1.0
CA C:SER173 4.1 53.7 1.0
CG C:PRO136 4.3 50.0 1.0
N C:HIS135 4.5 44.1 1.0
CE1 C:PHE134 4.6 56.7 1.0
C C:HIS135 4.7 48.9 1.0
CD2 C:LEU13 4.8 52.5 1.0
CA C:PHE134 4.8 47.7 1.0
N C:LEU14 4.9 54.7 1.0
CD2 C:PHE134 4.9 54.1 1.0
C C:LEU13 5.0 54.5 1.0
O C:SER173 5.0 53.5 1.0
CG1 C:VAL176 5.0 59.9 1.0
CB C:VAL176 5.0 58.4 1.0

Reference:

I.G.Shabalin, J.Winsor, S.Grimshaw, W.Minor. Crystal Structures and Kinetic Properties of Anabolic Ornithine Carbamoyltransferase From Human Pathogens Vibrio Vulnificus and Bacillus Anthracis To Be Published.
Page generated: Sat Dec 12 10:48:06 2020

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